SCHEMBL9509357

SCHEMBL9509357

COc1cc(C)nc(NC(=O)NS(=O)(=O)c2[nH]nc(Cl)c2C(C=O)OC)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CDK1 P06493 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9511795 0.77 GAA (0.44) GAACDK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL5792011 0.75 GAA (0.52) GAACDK1TSHRCYP1A2ALDH1A1
SCHEMBL9513100 0.72 GAA (0.52) GAACDK1TSHRSMN1; SMN2CYP1A2
SCHEMBL9512705 0.72 GAA (0.48) GAACDK1TSHRSMN1; SMN2CYP1A2
SCHEMBL10847825 0.71 GAA (0.53) GAACDK1TSHRSMN1; SMN2CYP1A2
SCHEMBL10475094 0.70 GAA (0.48) GAACDK1TSHRSMN1; SMN2CYP1A2
SCHEMBL11026119 0.70 TSHR (0.48) GAACDK1TSHRSMN1; SMN2CYP1A2
SCHEMBL10861755 0.70 GAA (0.54) GAACDK1TSHRSMN1; SMN2CYP1A2
SCHEMBL11265505 0.70 KDM4E (0.55) GAACDK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL5790911 0.70 GAA (0.53) GAACDK1TSHRSMN1; SMN2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562015-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1993-09-29 EP disclosed